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#1800 only one of the R groups is saved to CDX format #1956

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#1800 only one of the R groups is saved to CDX format #1956

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0ff04d7
Changes to add altgroups on same level.
durlabh-epam May 20, 2024
59f93fd
Moved ket file to molecule directory, added changes in the test and .…
durlabh-epam May 20, 2024
eb22104
Added the correct cdxml file in ref folder.
durlabh-epam May 21, 2024
128055e
Changes to add altgroups on same level.
durlabh-epam May 20, 2024
1ecd0ad
Moved ket file to molecule directory, added changes in the test and .…
durlabh-epam May 20, 2024
15b1824
Added the correct cdxml file in ref folder.
durlabh-epam May 21, 2024
e598a03
Merge branch '1800_only_one_of_the_R_groups_is_saved_to_CDX_format' o…
durlabh-epam Jun 3, 2024
5b033d2
Initial chages to accomodate empty altgroups.
durlabh-epam Jun 17, 2024
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1 change: 1 addition & 0 deletions api/tests/integration/ref/formats/ket_cdxml.py.out
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Expand Up @@ -11,3 +11,4 @@ multi_overlap.cdxml:SUCCEED
multi_overlap.ket:SUCCEED
*** KET to CDXML ***
963-super.cdxml:SUCCEED
R3R4R5.cdxml:SUCCEED
1 change: 1 addition & 0 deletions api/tests/integration/tests/formats/ket_cdxml.py
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Expand Up @@ -84,6 +84,7 @@ def find_diff(a, b):
root_m = joinPathPy("molecules/", __file__)
files = [
"963-super",
"R3R4R5",
]

files.sort()
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